6-(Trifluoromethyl)benzimidazole - CAS 326-55-6

Catalog:	BB021360
Product Name:	6-(Trifluoromethyl)benzimidazole
CAS:	326-55-6
Synonyms:	6-(trifluoromethyl)-1H-benzimidazole; 6-(trifluoromethyl)-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	6-(trifluoromethyl)-1H-benzimidazole
Description:	6-(Trifluoromethyl)benzimidazole (CAS# 326-55-6) is a useful research chemical compound.
Molecular Weight:	186.13
Molecular Formula:	C8H5F3N2
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)NC=N2
InChI:	InChI=1S/C8H5F3N2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)
InChI Key:	HUCHIALSXSAECU-UHFFFAOYSA-N
Boiling Point:	339.3 °C at 760 mmHg
Density:	1.447 g/cm³
LogP:	2.58170

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
CN-110483406-A	A method of the synthesis class of difluoromethyl containing N- compound	20190827
CN-110483406-B	Method for synthesizing compound containing N-difluoromethyl	20190827
CN-109456274-A	Benzimidazoles derivative, preparation method and its purposes as drug	20181207
CN-109265403-A	Method for synthesizing benzimidazole and its derivatives	20181102

PMID	Publication Date	Title	Journal
16300408	20051129	Herpes simplex virus 1 primase employs watson-crick hydrogen bonding to identify cognate nucleoside triphosphates	Biochemistry

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04048265
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.04048265
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2